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Thiobarbituric acid

CAT: 1410-M24464-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M24464-05Size:1 g
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Description
Thiobarbituric acid has Antibacterial Activity.
CAS Number
504-17-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
144.15
Molecular Formula
C4H4N2O2S
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Thiobarbituric acid

2-thiobarbituric acid is a barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. It has a role as a reagent and an allergen.

CAS Number504-17-6
PubChem CID2723628
IUPAC Name2-sulfanylidene-1,3-diazinane-4,6-dione
Molecular FormulaC4H4N2O2S
Molecular Weight144.15
XLogP-0.9
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity171
SMILES
C1C(=O)NC(=S)NC1=O
InChI
InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey
RVBUGGBMJDPOST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiobarbituric acid
CAS: 504-17-6
CID: 2723628
Formula: C4H4N2O2S
MW: 144.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.15
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass143.99934855
Monoisotopic Mass143.99934855
Topological Polar Surface Area90.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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